Wilfornine D
AlkaPlorer ID: AK001177
Synonym: None
IUPAC Name: [(1S,3R,15R,18S,19R,20R,21R,22S,23R,24R,25R,26S)-19,20,22,23,25-pentaacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-15-yl] furan-2-carboxylate
Structure
SMILES: CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3[C@H]([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C)OC(=O)[C@](CCC5=C(C=CC=N5)C(=O)OC[C@@]3(O4)C)(C)OC(=O)C6=CC=CO6)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C43H49NO21/c1-20(45)56-19-42-34(61-24(5)49)30(58-21(2)46)29-32(60-23(4)48)43(42)41(9,54)33(31(59-22(3)47)35(42)62-25(6)50)63-38(53)39(7,64-37(52)28-13-11-17-55-28)15-14-27-26(12-10-16-44-27)36(51)57-18-40(29,8)65-43/h10-13,16-17,29-35,54H,14-15,18-19H2,1-9H3/t29-,30-,31+,32-,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1
InChIKey: YGMBSUJXZFLWPG-UDTLMCMUSA-N
Reference
PubChem CID: 44584750
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 915.8510000000002
TPSA？: 292.19
MolLogP？: 1.4352000000000034
Number of H-Donors: 1
Number of H-Acceptors: 22
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | Inhibition | None | % | 10.1021/np000504a |